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Molecule
N,N-Diethyldiethylenetriamine
CAS: 24426-16-2 · C8H21N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24426-16-2
- Molecular Formula
- C8H21N3
- Molecular Mass
- 159.28 g/mol
Identifiers
CAS Registry Number
24426-16-2
SMILES
CCN(CC)CCNCCN
InChI Key
CEFDTSBDWYXVHY-UHFFFAOYSA-N
InChI
InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3
Names and Synonyms
- N,N-Diethyldiethylenetriamine Synonym
- 1,2-Ethanediamine, N2-(2-aminoethyl)-N1,N1-diethyl- Synonym
- Diethylenetriamine, 1,1-diethyl- Synonym
- 1,2-Ethanediamine, N′-(2-aminoethyl)-N,N-diethyl- Synonym
- N2-(2-Aminoethyl)-N1,N1-diethyl-1,2-ethanediamine Synonym
- N,N-Diethyldiethylenetriamine Synonym
- NSC 166316 Synonym
- N′-(2-Diethylaminoethyl)ethane-1,2-diamine Synonym
- N-(2-Diethylaminoethyl)ethane-1,2-diamine Synonym
- N-(2-Diethylaminoethyl)ethylenediamine Synonym
- (2-Aminoethyl)[2-(diethylamino)ethyl]amine Synonym
- [2-[(2-Aminoethyl)amino]ethyl]diethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.28 g/mol | CAS Common Chemistry |
| 159.277 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8761 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | NCCNCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CEFDTSBDWYXVHY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyldiethylenetriamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.29 Ų | RDKit |
| 41.06 Ų | chempirical lib | |
| LogP | -0.12349999999999872 | RDKit |
| -0.1235 | RDKit | |
| Molar Refractivity | 49.71210000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 159.17354767199998 g/mol | RDKit |
| Boiling Point | 112-114 °C @ 24 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 159.28 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
